4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide

Systemtic Name: 4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide Openeye Name: 4-(3,4-dimethyl-N-methylsulfonyl-anilino)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide CAS Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[3-(4-methyl-1-piperazinyl)propyl]butanamide IUPAC Name: 4-(3,4-dimethyl-N-methylsulfonylanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide Traditional Name: 4-(N-mesyl-3,4-dimethyl-anilino)-N-[3-(4-methylpiperazino)propyl]butyramide Formula: C21H36N4O3S MolecularWeight: 424.60054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCCC(=O)NCCCN2CCN(CC2)C)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCCC(=O)NCCCN2CCN(CC2)C)S(=O)(=O)C)C

InChI

InChI=1S/C21H36N4O3S/c1-18-8-9-20(17-19(18)2)25(29(4,27)28)12-5-7-21(26)22-10-6-11-24-15-13-23(3)14-16-24/h8-9,17H,5-7,10-16H2,1-4H3,(H,22,26)